cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde

C8H14O2 — CID 134993179

IUPACcis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde
SMILESC[C@@]1(O)CCCC[C@@H]1C=O
InChIInChI=1S/C8H14O2/c1-8(10)5-3-2-4-7(8)6-9/h6-7,10H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyBHWDMPNETVATAS-HTQZYQBOSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds1

About cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde

cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde (PubChem CID 134993179) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde
PubChem CID134993179
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namecis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde
SMILESC[C@@]1(O)CCCC[C@@H]1C=O
InChIInChI=1S/C8H14O2/c1-8(10)5-3-2-4-7(8)6-9/h6-7,10H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyBHWDMPNETVATAS-HTQZYQBOSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde (CID 134993179) is cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde is C[C@@]1(O)CCCC[C@@H]1C=O.
What is the InChIKey of cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde?
The InChIKey is BHWDMPNETVATAS-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(10)5-3-2-4-7(8)6-9/h6-7,10H,2-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde?
cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-hydroxy-2-methylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 134993179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).